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Crystal structure of bis-(N-tert-butyl-benzamidinium) hexa-chlorido-zirconate(IV) di-chloro-methane disolvate.

ABSTRACT: In the Zr(IV) complex anion of the title complex salt, [(C4H9)HNC(C6H5)NH2]2[ZrCl6]·2CH2Cl2, the Zr(IV) cation, located on an inversion centre, is coordinated by six Cl(-) anions in a distorted octa-hedral geometry with Zr-Cl distances in the range 2.433?(2)-2.4687?(19)?Å; in the amidinium cation, the dihedral angle between the aromatic ring and [NCN] plane is 43.3?(4)°. In the crystal, the amidinium cations and [ZrCl6](2-) anions are linked by N-H?Cl hydrogen bonds, forming a two-dimensional network extending along the b axis; two di-chloro-methane solvent mol-ecules are linked by a pair of weak C-H?Cl hydrogen bonds, forming a centrosymmetric [CHCl]2 six-membered ring.

SUBMITTER: Jiang ZH

PROVIDER: S-EPMC4910352 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(N-tert-butyl-benzamidinium) hexa-chlorido-zirconate(IV) di-chloro-methane disolvate.

Jiang Zhi-Hao ZH Zhao Jian-Ping JP Ma Xiu-Ming XM Bai Sheng-Di SD

Acta crystallographica. Section E, Crystallographic communications 20160302 Pt 4

In the Zr(IV) complex anion of the title complex salt, [(C4H9)HNC(C6H5)NH2]2[ZrCl6]·2CH2Cl2, the Zr(IV) cation, located on an inversion centre, is coordinated by six Cl(-) anions in a distorted octa-hedral geometry with Zr-Cl distances in the range 2.433 (2)-2.4687 (19) Å; in the amidinium cation, the dihedral angle between the aromatic ring and [NCN] plane is 43.3 (4)°. In the crystal, the amidinium cations and [ZrCl6](2-) anions are linked by N-H⋯Cl hydrogen bonds, forming a two-dimensional ne ...[more]

PMID: 27375857

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